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454850

Sigma-Aldrich

2-Methyl-4-nitropyridine N-oxide

97%

Synonym(s):

4-Nitro-2-picoline N-oxide

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About This Item

Empirical Formula (Hill Notation):
C6H6N2O3
CAS Number:
5470-66-6
Molecular Weight:
154.12
MDL number:
MFCD00014625
UNSPSC Code:
12352100
PubChem Substance ID:
24868982
NACRES:
NA.22

Assay

97%

mp

155-159 °C (lit.)

SMILES string

Cc1cc(cc[n+]1[O-])[N+]([O-])=O

InChI

1S/C6H6N2O3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3

InChI key

FTTIAVRPJGCXAC-UHFFFAOYSA-N

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Pictograms

Health hazardExclamation mark
GHS08,GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Aniela Puszko et al.
Journal of inorganic biochemistry, 104(2), 153-160 (2009-11-26)
Three new complexes, products of the interaction of Cu(NO(3))(2) and methyl-substituted 4-nitropyridine N-oxides were synthesized and characterized by elemental analysis, magnetic, spectroscopic (IR, FIR and EPR), thermal and X-ray methods. The complexes (magnetic moments 1.70-1.81 BM at 300K) of general
Amination of alkyl substituted halogenopyridines with potassium amide in liquid ammonia.
Van der Does L and Den Hertog HJ.
Rec. Trav. Chim., 91(12), 1403-1413 (1972)
Max Peukert et al.
Acta crystallographica. Section E, Structure reports online, 70(Pt 4), o426-o427 (2014-05-16)
An improved crystal structure of the title compound, C6H6N2O3, is reported. The structure, previously solved [Li et al. (1987 ▶). Jiegou Huaxue (Chin. J. Struct. Chem.), 6, 20-24] in the ortho-rhom-bic space group Pca21 and refined to R = 0.067

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